Table 5 Lowest interaction energies and Mean Square Error (MSE) results of the multi-point defect Silicene Layer as determined by the Monte Carlo (MC) sampling approach and their comparison with the AUGUR pipeline

From: AUGUR, a flexible and efficient optimization algorithm for identification of optimal adsorption sites

 

Monte Carlo

AUGUR

Improvement

 

(15 samples)

(10 samples)

[%]

 

[eV]

[eV]

 

Lowest energy

−1.80

−2.19

21.50

Model cross-validation MSE

0.28

0.05

460.00

Back to article page